(2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride

C14H24ClN3O2 — CID 120633713

IUPAC(2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NC2CC(=O)N(C3CC3)C2)CCN1.Cl
InChIInChI=1S/C14H23N3O2.ClH/c1-9-6-10(4-5-15-9)14(19)16-11-7-13(18)17(8-11)12-2-3-12;/h9-12,15H,2-8H2,1H3,(H,16,19);1H/t9-,10-,11?;/m0./s1
InChIKeyMSNNSZAGTZWEBB-DKPKQKKESA-N
MW301.82 g/mol
LogP0.68
Rot. Bonds3

About (2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120633713) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is (2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120633713
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name(2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NC2CC(=O)N(C3CC3)C2)CCN1.Cl
InChIInChI=1S/C14H23N3O2.ClH/c1-9-6-10(4-5-15-9)14(19)16-11-7-13(18)17(8-11)12-2-3-12;/h9-12,15H,2-8H2,1H3,(H,16,19);1H/t9-,10-,11?;/m0./s1
InChIKeyMSNNSZAGTZWEBB-DKPKQKKESA-N
XLogP0.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide
CID 120627814
(2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide
CID 120638106
N-(1-cyclopropylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 106739107
(2S,4S)-2-methyl-N-(3-methylcyclobutyl)piperidine-4-carboxamide
CID 120633929
(2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride
CID 120637437
N-cyclohexyl-2-methylpiperidine-4-carboxamide
CID 106738484
1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120600934
(2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120937589
N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120598192
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110016100
(2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 125152785
N-(4-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide
CID 106738893

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120633713) is (2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NC2CC(=O)N(C3CC3)C2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is MSNNSZAGTZWEBB-DKPKQKKESA-N. The full InChI is InChI=1S/C14H23N3O2.ClH/c1-9-6-10(4-5-15-9)14(19)16-11-7-13(18)17(8-11)12-2-3-12;/h9-12,15H,2-8H2,1H3,(H,16,19);1H/t9-,10-,11?;/m0./s1.
What are the key properties of (2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120633713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).